1-methyl-2-[(1S)-1-propan-2-yloxyethyl]-2,5-dihydropyrrole

C10H19NO — CID 177009214

IUPAC1-methyl-2-[(1S)-1-propan-2-yloxyethyl]-2,5-dihydropyrrole
SMILESCC(C)O[C@@H](C)C1C=CCN1C
InChIInChI=1S/C10H19NO/c1-8(2)12-9(3)10-6-5-7-11(10)4/h5-6,8-10H,7H2,1-4H3/t9-,10?/m0/s1
InChIKeyAITJEYCOFDIQOZ-RGURZIINSA-N
MW169.27 g/mol
LogP1.67
Rot. Bonds3

About 1-methyl-2-[(1S)-1-propan-2-yloxyethyl]-2,5-dihydropyrrole

1-methyl-2-[(1S)-1-propan-2-yloxyethyl]-2,5-dihydropyrrole (PubChem CID 177009214) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 1-methyl-2-[(1S)-1-propan-2-yloxyethyl]-2,5-dihydropyrrole.

Molecular Properties

Compound Name1-methyl-2-[(1S)-1-propan-2-yloxyethyl]-2,5-dihydropyrrole
PubChem CID177009214
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name1-methyl-2-[(1S)-1-propan-2-yloxyethyl]-2,5-dihydropyrrole
SMILESCC(C)O[C@@H](C)C1C=CCN1C
InChIInChI=1S/C10H19NO/c1-8(2)12-9(3)10-6-5-7-11(10)4/h5-6,8-10H,7H2,1-4H3/t9-,10?/m0/s1
InChIKeyAITJEYCOFDIQOZ-RGURZIINSA-N
XLogP1.67
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[(1S)-1-propan-2-yloxyethyl]-2,5-dihydropyrrole?
The IUPAC name of 1-methyl-2-[(1S)-1-propan-2-yloxyethyl]-2,5-dihydropyrrole (CID 177009214) is 1-methyl-2-[(1S)-1-propan-2-yloxyethyl]-2,5-dihydropyrrole.
What is the SMILES notation for 1-methyl-2-[(1S)-1-propan-2-yloxyethyl]-2,5-dihydropyrrole?
The canonical SMILES for 1-methyl-2-[(1S)-1-propan-2-yloxyethyl]-2,5-dihydropyrrole is CC(C)O[C@@H](C)C1C=CCN1C.
What is the InChIKey of 1-methyl-2-[(1S)-1-propan-2-yloxyethyl]-2,5-dihydropyrrole?
The InChIKey is AITJEYCOFDIQOZ-RGURZIINSA-N. The full InChI is InChI=1S/C10H19NO/c1-8(2)12-9(3)10-6-5-7-11(10)4/h5-6,8-10H,7H2,1-4H3/t9-,10?/m0/s1.
What are the key properties of 1-methyl-2-[(1S)-1-propan-2-yloxyethyl]-2,5-dihydropyrrole?
1-methyl-2-[(1S)-1-propan-2-yloxyethyl]-2,5-dihydropyrrole has a molecular weight of 169.27 g/mol, XLogP of 1.67, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[(1S)-1-propan-2-yloxyethyl]-2,5-dihydropyrrole is sourced from PubChem (CID 177009214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).